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6,7-Dihydroxy-3-methoxy-6-methyl-9,10-dioxo-5,6,7,8,9,10-hexahydro-1-anthracenyl 4-bromobenzoate
SpectraBase Compound ID FCO7SB2ULyY
InChI InChI=1S/C23H19BrO7/c1-23(29)10-16-14(9-18(23)25)21(27)19-15(20(16)26)7-13(30-2)8-17(19)31-22(28)11-3-5-12(24)6-4-11/h3-8,18,25,29H,9-10H2,1-2H3
InChIKey KZHGSBORCRYCMT-UHFFFAOYSA-N
Mol Weight 487.3 g/mol
Molecular Formula C23H19BrO7
Exact Mass 486.031416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZ7xeaxbcRO
Name 6,7-Dihydroxy-3-methoxy-6-methyl-9,10-dioxo-5,6,7,8,9,10-hexahydro-1-anthracenyl 4-bromobenzoate
Alternate Name(s) 5-(p-Bromobenzoyloxy)-1,2,3,4-tetrahydro-trans-2,trans-3-dihydroxy-7-methoxy-cis-2-methylanthraquinone 4-Bromobenzoic acid (6,7-dihydroxy-3-methoxy-6-methyl-9,10-dioxo-7,8-dihydro-5H-anthracen-1-yl) ester (6,7-dihydroxy-3-methoxy-6-methyl-9,10-dioxo-7,8-dihydro-5H-anthracen-1-yl) 4-bromobenzoate [3-methoxy-6-methyl-6,7-bis(oxidanyl)-9,10-bis(oxidanylidene)-7,8-dihydro-5H-anthracen-1-yl] 4-bromanylbenzoate
CAS Registry Number 21879-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19BrO7
InChI InChI=1S/C23H19BrO7/c1-23(29)10-16-14(9-18(23)25)21(27)19-15(20(16)26)7-13(30-2)8-17(19)31-22(28)11-3-5-12(24)6-4-11/h3-8,18,25,29H,9-10H2,1-2H3
InChIKey KZHGSBORCRYCMT-UHFFFAOYSA-N
Molecular Weight 487.302 g/mol
SMILES OC1(CC=2C(c3c(C(C2CC1O)=O)c(cc(c3)OC)OC(c1ccc(cc1)Br)=O)=O)C
SPLASH splash10-0019-1940100000-b68985629a59581836a0
Source of Spectrum NP-15-6231-0
Wiley ID 1112693